UCSF

ZINC37051584

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 9.05 -42.56 2 3 1 34 325.263 3
Hi High (pH 8-9.5) 3.22 8.19 -5.91 1 3 0 30 324.255 3
Lo Low (pH 4.5-6) 3.22 9.21 -107.75 3 3 2 36 326.271 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )